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Home > Fluorides > 116548-07-3
116548-07-3 | 3-Pyridinecarboxamide, 1,2-dihydro-4-methyl-2-oxo-6-(trifluoromethyl)-
CAS No: 116548-07-3 Catalog No: AG000CRF MDL No:MFCD16659045
Product Description
Catalog Number:
AG000CRF
Chemical Name:
3-Pyridinecarboxamide, 1,2-dihydro-4-methyl-2-oxo-6-(trifluoromethyl)-
CAS Number:
116548-07-3
Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.1486
MDL Number:
MFCD16659045
IUPAC Name:
4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C8H7F3N2O2/c1-3-2-4(8(9,10)11)13-7(15)5(3)6(12)14/h2H,1H3,(H2,12,14)(H,13,15)
InChI Key:
ISPYTJOFALZLCQ-UHFFFAOYSA-N
SMILES:
NC(=O)c1c(C)cc([nH]c1=O)C(F)(F)F
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.151g/mol
Monoisotopic Mass:
220.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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